NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage program type item_count
616871 5x39 36055 cing 2-parsed STAR dihedral angle 66


data_5x39_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_5x39 
    _Study_list.ID           1 

    loop_
        _Study.ID 
        _Study.Name 
        _Study.Type 
        _Study.Details 
        _Study.Entry_ID 
        _Study.Study_list_ID 

        1   "Conversion project"    NMR   .   parsed_5x39   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_5x39 
    _Entry.Title                       "Original constraint list(s)" 
    _Entry.Version_type                 original 
    _Entry.Submission_date              . 
    _Entry.Accession_date               . 
    _Entry.Last_release_date            . 
    _Entry.Original_release_date        . 
    _Entry.Origination                  . 
    _Entry.NMR_STAR_version             3.1 
    _Entry.Original_NMR_STAR_version    . 
    _Entry.Experimental_method          NMR 
    _Entry.Experimental_method_subtype  . 

    loop_
        _Related_entries.Database_name 
        _Related_entries.Database_accession_code 
        _Related_entries.Relationship 
        _Related_entries.Entry_ID 

        PDB   5x39   "Master copy"    parsed_5x39   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_5x39 
    _Constraint_stat_list.ID           1 

    loop_
        _Constraint_file.ID 
        _Constraint_file.Constraint_filename 
        _Constraint_file.Software_ID 
        _Constraint_file.Software_label 
        _Constraint_file.Software_name 
        _Constraint_file.Block_ID 
        _Constraint_file.Constraint_type 
        _Constraint_file.Constraint_subtype 
        _Constraint_file.Constraint_subsubtype 
        _Constraint_file.Constraint_number 
        _Constraint_file.Entry_ID 
        _Constraint_file.Constraint_stat_list_ID 

        1   5x39.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_5x39   1   
        1   5x39.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi               1943   parsed_5x39   1   
        1   5x39.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"      66   parsed_5x39   1   
        1   5x39.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_5x39   1   
    stop_

save_


save_CNS/XPLOR_dihedral_3
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_5x39 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            3 
    _Torsion_angle_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Torsion_angle_constraint.ID 
        _Torsion_angle_constraint.Torsion_angle_name 
        _Torsion_angle_constraint.Assembly_atom_ID_1 
        _Torsion_angle_constraint.Entity_assembly_ID_1 
        _Torsion_angle_constraint.Entity_ID_1 
        _Torsion_angle_constraint.Comp_index_ID_1 
        _Torsion_angle_constraint.Seq_ID_1 
        _Torsion_angle_constraint.Comp_ID_1 
        _Torsion_angle_constraint.Atom_ID_1 
        _Torsion_angle_constraint.Resonance_ID_1 
        _Torsion_angle_constraint.Assembly_atom_ID_2 
        _Torsion_angle_constraint.Entity_assembly_ID_2 
        _Torsion_angle_constraint.Entity_ID_2 
        _Torsion_angle_constraint.Comp_index_ID_2 
        _Torsion_angle_constraint.Seq_ID_2 
        _Torsion_angle_constraint.Comp_ID_2 
        _Torsion_angle_constraint.Atom_ID_2 
        _Torsion_angle_constraint.Resonance_ID_2 
        _Torsion_angle_constraint.Assembly_atom_ID_3 
        _Torsion_angle_constraint.Entity_assembly_ID_3 
        _Torsion_angle_constraint.Entity_ID_3 
        _Torsion_angle_constraint.Comp_index_ID_3 
        _Torsion_angle_constraint.Seq_ID_3 
        _Torsion_angle_constraint.Comp_ID_3 
        _Torsion_angle_constraint.Atom_ID_3 
        _Torsion_angle_constraint.Resonance_ID_3 
        _Torsion_angle_constraint.Assembly_atom_ID_4 
        _Torsion_angle_constraint.Entity_assembly_ID_4 
        _Torsion_angle_constraint.Entity_ID_4 
        _Torsion_angle_constraint.Comp_index_ID_4 
        _Torsion_angle_constraint.Seq_ID_4 
        _Torsion_angle_constraint.Comp_ID_4 
        _Torsion_angle_constraint.Atom_ID_4 
        _Torsion_angle_constraint.Resonance_ID_4 
        _Torsion_angle_constraint.Angle_lower_bound_val 
        _Torsion_angle_constraint.Angle_upper_bound_val 
        _Torsion_angle_constraint.Source_experiment_ID 
        _Torsion_angle_constraint.Auth_asym_ID_1 
        _Torsion_angle_constraint.Auth_seq_ID_1 
        _Torsion_angle_constraint.Auth_comp_ID_1 
        _Torsion_angle_constraint.Auth_atom_ID_1 
        _Torsion_angle_constraint.Auth_asym_ID_2 
        _Torsion_angle_constraint.Auth_seq_ID_2 
        _Torsion_angle_constraint.Auth_comp_ID_2 
        _Torsion_angle_constraint.Auth_atom_ID_2 
        _Torsion_angle_constraint.Auth_asym_ID_3 
        _Torsion_angle_constraint.Auth_seq_ID_3 
        _Torsion_angle_constraint.Auth_comp_ID_3 
        _Torsion_angle_constraint.Auth_atom_ID_3 
        _Torsion_angle_constraint.Auth_asym_ID_4 
        _Torsion_angle_constraint.Auth_seq_ID_4 
        _Torsion_angle_constraint.Auth_comp_ID_4 
        _Torsion_angle_constraint.Auth_atom_ID_4 
        _Torsion_angle_constraint.Entry_ID 
        _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 

         1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -126.4    -51.4   .   .    1   .   C    .    2   .   N    .    2   .   CA    .    2   .   C     parsed_5x39   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    111.6    160.0   .   .    2   .   N    .    2   .   CA   .    2   .   C     .    3   .   N     parsed_5x39   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -128.4    -23.8   .   .    3   .   C    .    4   .   N    .    4   .   CA    .    4   .   C     parsed_5x39   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    112.9    163.7   .   .    4   .   N    .    4   .   CA   .    4   .   C     .    5   .   N     parsed_5x39   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     44.9     84.9   .   .    4   .   C    .    5   .   N    .    5   .   CA    .    5   .   C     parsed_5x39   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     -0.1     43.9   .   .    5   .   N    .    5   .   CA   .    5   .   C     .    6   .   N     parsed_5x39   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.1    -52.3   .   .    9   .   C    .   10   .   N    .   10   .   CA    .   10   .   C     parsed_5x39   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    132.7    201.9   .   .   10   .   N    .   10   .   CA   .   10   .   C     .   11   .   N     parsed_5x39   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -80.1    -40.1   .   .   10   .   C    .   11   .   N    .   11   .   CA    .   11   .   C     parsed_5x39   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    116.3    156.3   .   .   11   .   N    .   11   .   CA   .   11   .   C     .   12   .   N     parsed_5x39   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -100.7    -42.3   .   .   12   .   C    .   13   .   N    .   13   .   CA    .   13   .   C     parsed_5x39   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    107.0    149.8   .   .   13   .   N    .   13   .   CA   .   13   .   C     .   14   .   N     parsed_5x39   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -133.4    -90.2   .   .   13   .   C    .   14   .   N    .   14   .   CA    .   14   .   C     parsed_5x39   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -35.0     38.6   .   .   14   .   N    .   14   .   CA   .   14   .   C     .   15   .   N     parsed_5x39   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -132.4    -46.4   .   .   17   .   C    .   18   .   N    .   18   .   CA    .   18   .   C     parsed_5x39   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    111.4    154.0   .   .   18   .   N    .   18   .   CA   .   18   .   C     .   19   .   N     parsed_5x39   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -112.1    -35.9   .   .   18   .   C    .   19   .   N    .   19   .   CA    .   19   .   C     parsed_5x39   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     71.3    198.5   .   .   19   .   N    .   19   .   CA   .   19   .   C     .   20   .   N     parsed_5x39   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -79.0    -39.0   .   .   20   .   C    .   21   .   N    .   21   .   CA    .   21   .   C     parsed_5x39   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    113.3    153.3   .   .   21   .   N    .   21   .   CA   .   21   .   C     .   22   .   N     parsed_5x39   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     70.4    110.4   .   .   21   .   C    .   22   .   N    .   22   .   CA    .   22   .   C     parsed_5x39   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -20.4     19.6   .   .   22   .   N    .   22   .   CA   .   22   .   C     .   23   .   N     parsed_5x39   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -149.9   -103.7   .   .   22   .   C    .   23   .   N    .   23   .   CA    .   23   .   C     parsed_5x39   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    135.2    175.2   .   .   23   .   N    .   23   .   CA   .   23   .   C     .   24   .   N     parsed_5x39   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -157.0    -98.2   .   .   23   .   C    .   24   .   N    .   24   .   CA    .   24   .   C     parsed_5x39   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    127.0    167.0   .   .   24   .   N    .   24   .   CA   .   24   .   C     .   25   .   N     parsed_5x39   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.5    -50.5   .   .   24   .   C    .   25   .   N    .   25   .   CA    .   25   .   C     parsed_5x39   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     99.8    165.4   .   .   25   .   N    .   25   .   CA   .   25   .   C     .   26   .   N     parsed_5x39   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -125.3    -55.1   .   .   25   .   C    .   26   .   N    .   26   .   CA    .   26   .   C     parsed_5x39   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    105.9    164.1   .   .   26   .   N    .   26   .   CA   .   26   .   C     .   27   .   N     parsed_5x39   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -105.0    -49.2   .   .   26   .   C    .   27   .   N    .   27   .   CA    .   27   .   C     parsed_5x39   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     94.3    167.1   .   .   27   .   N    .   27   .   CA   .   27   .   C     .   28   .   N     parsed_5x39   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -81.4    -41.4   .   .   29   .   C    .   30   .   N    .   30   .   CA    .   30   .   C     parsed_5x39   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -42.9     -2.9   .   .   30   .   N    .   30   .   CA   .   30   .   C     .   31   .   N     parsed_5x39   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -117.2    -77.2   .   .   30   .   C    .   31   .   N    .   31   .   CA    .   31   .   C     parsed_5x39   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -23.6     16.4   .   .   31   .   N    .   31   .   CA   .   31   .   C     .   32   .   N     parsed_5x39   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -101.4    -40.4   .   .   31   .   C    .   32   .   N    .   32   .   CA    .   32   .   C     parsed_5x39   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    115.7    155.7   .   .   32   .   N    .   32   .   CA   .   32   .   C     .   33   .   N     parsed_5x39   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -143.9    -87.9   .   .   32   .   C    .   33   .   N    .   33   .   CA    .   33   .   C     parsed_5x39   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    111.4    155.4   .   .   33   .   N    .   33   .   CA   .   33   .   C     .   34   .   N     parsed_5x39   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -153.8   -112.0   .   .   33   .   C    .   34   .   N    .   34   .   CA    .   34   .   C     parsed_5x39   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    115.7    166.5   .   .   34   .   N    .   34   .   CA   .   34   .   C     .   35   .   N     parsed_5x39   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -106.6    -61.8   .   .   34   .   C    .   35   .   N    .   35   .   CA    .   35   .   C     parsed_5x39   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    104.2    155.8   .   .   35   .   N    .   35   .   CA   .   35   .   C     .   36   .   N     parsed_5x39   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .    4   .   N    .    4   .   CA   .    4   .   CB    .    4   .   CG    parsed_5x39   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0    -30.0   .   .    5   .   N    .    5   .   CA   .    5   .   CB    .    5   .   CG    parsed_5x39   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .    7   .   N    .    7   .   CA   .    7   .   CB    .    7   .   CG    parsed_5x39   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0     90.0   .   .    8   .   N    .    8   .   CA   .    8   .   CB    .    8   .   SG    parsed_5x39   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0    -30.0   .   .   11   .   N    .   11   .   CA   .   11   .   CB    .   11   .   CG1   parsed_5x39   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   11   .   CA   .   11   .   CB   .   11   .   CG1   .   11   .   CD1   parsed_5x39   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   13   .   N    .   13   .   CA   .   13   .   CB    .   13   .   CG    parsed_5x39   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0     90.0   .   .   14   .   N    .   14   .   CA   .   14   .   CB    .   14   .   OG    parsed_5x39   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0     90.0   .   .   17   .   N    .   17   .   CA   .   17   .   CB    .   17   .   OG1   parsed_5x39   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   18   .   N    .   18   .   CA   .   18   .   CB    .   18   .   CG1   parsed_5x39   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0    -30.0   .   .   19   .   N    .   19   .   CA   .   19   .   CB    .   19   .   SG    parsed_5x39   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0     90.0   .   .   23   .   N    .   23   .   CA   .   23   .   CB    .   23   .   OG1   parsed_5x39   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30.0     90.0   .   .   24   .   N    .   24   .   CA   .   24   .   CB    .   24   .   OG1   parsed_5x39   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   25   .   N    .   25   .   CA   .   25   .   CB    .   25   .   SG    parsed_5x39   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0    -30.0   .   .   26   .   N    .   26   .   CA   .   26   .   CB    .   26   .   CG    parsed_5x39   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   27   .   N    .   27   .   CA   .   27   .   CB    .   27   .   CG1   parsed_5x39   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0    -30.0   .   .   28   .   N    .   28   .   CA   .   28   .   CB    .   28   .   CG    parsed_5x39   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   28   .   CA   .   28   .   CB   .   28   .   CG    .   28   .   CD1   parsed_5x39   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0    -30.0   .   .   31   .   N    .   31   .   CA   .   31   .   CB    .   31   .   CG    parsed_5x39   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   32   .   N    .   32   .   CA   .   32   .   CB    .   32   .   CG    parsed_5x39   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -90.0    -30.0   .   .   33   .   N    .   33   .   CA   .   33   .   CB    .   33   .   OG    parsed_5x39   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150.0    210.0   .   .   35   .   N    .   35   .   CA   .   35   .   CB    .   35   .   SG    parsed_5x39   1   
    stop_


    loop_
        _TA_constraint_comment_org.ID 
        _TA_constraint_comment_org.Comment_text 
        _TA_constraint_comment_org.Comment_begin_line 
        _TA_constraint_comment_org.Comment_begin_column 
        _TA_constraint_comment_org.Comment_end_line 
        _TA_constraint_comment_org.Comment_end_column 
        _TA_constraint_comment_org.Entry_ID 
        _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 

         1   "2 A  -88.887  135.834   18.753   12.090    1.023 0.786 25 13 Strong"         3   1     3   73   parsed_5x39   1   
         2   
;
3 S -142.102  157.961   12.028   10.003    0.936 0.812 25 15 Strong
assign (resid    2 and name C    ) (resid    3 and name N    )
(resid    3 and name CA   ) (resid    3 and name C    )    1.0 -142.1   24.1 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
(resid    3 and name C    ) (resid    4 and name N    )    1.0  158.0   20.0 2
4 H  -76.096  138.350   26.143   12.693    1.121 0.817 25 15 Strong
;
     9   1    15   73   parsed_5x39   1   
         3   "5 Y   64.912   21.882    9.728   10.995    1.378 0.802 25 14 Strong"        21   1    21   73   parsed_5x39   1   
         4   "10 G  -78.729  167.251   13.205   17.282    1.276 0.800 25 13 Strong"       27   1    27   73   parsed_5x39   1   
         5   "11 I  -60.120  136.254    7.636    9.578    0.858 0.761 25 13 Strong"       33   1    33   73   parsed_5x39   1   
         6   "13 Y  -71.543  128.425   14.579   10.678    0.892 0.705 25 14 Strong"       39   1    39   73   parsed_5x39   1   
         7   "14 S -111.849    1.823   10.820   18.422    0.931 0.703 25 14 Strong"       45   1    45   73   parsed_5x39   1   
         8   "18 V  -89.421  132.728   21.525   10.646    1.223 0.694 25 15 Strong"       51   1    51   73   parsed_5x39   1   
         9   "19 C  -73.970  134.861   12.708   21.211    1.266 0.792 10 15 Generous"     57   1    57   75   parsed_5x39   1   
        10   "21 S  -59.045  133.340    5.920    5.102    0.327 0.768 25 14 Strong"       63   1    63   73   parsed_5x39   1   
        11   "22 G   90.400   -0.445    7.487    8.327    0.262 0.755 25 14 Strong"       69   1    69   73   parsed_5x39   1   
        12   "23 T -126.808  155.197   11.573    9.915    0.381 0.784 25 14 Strong"       75   1    75   73   parsed_5x39   1   
        13   "24 T -127.591  146.972   14.678    9.792    0.427 0.798 25 15 Strong"       81   1    81   73   parsed_5x39   1   
        14   "25 C  -70.492  132.607    6.625   16.407    0.558 0.806 25 15 Strong"       87   1    87   73   parsed_5x39   1   
        15   "26 Q  -90.193  134.980   17.532   14.545    0.559 0.800 25 15 Strong"       93   1    93   73   parsed_5x39   1   
        16   "27 V  -77.077  130.696   13.968   18.216    0.529 0.799 25 15 Strong"       99   1    99   73   parsed_5x39   1   
        17   "30 P  -61.395  -22.914    5.440    8.724    0.734 0.802 25 13 Strong"      105   1   105   73   parsed_5x39   1   
        18   "31 Y  -97.178   -3.646    8.484    9.629    0.670 0.816 25 13 Strong"      111   1   111   73   parsed_5x39   1   
        19   "32 Y  -70.891  135.712   15.262    6.758    0.854 0.847 25 15 Strong"      117   1   117   73   parsed_5x39   1   
        20   "33 S -115.900  133.416   13.994   11.004    0.895 0.877 25 15 Strong"      123   1   123   73   parsed_5x39   1   
        21   "34 Q -132.908  141.095   10.451   12.687    1.019 0.886 25 15 Strong"      129   1   129   73   parsed_5x39   1   
        22   "35 C  -84.169  129.994   11.219   12.884    1.399 0.883 25 15 Strong"      135   1   135   73   parsed_5x39   1   
        23   
;
3 S Chi1 g+  60+-30deg
assign (resid    3 and name N    ) (resid    3 and name CA   )
(resid    3 and name CB   ) (resid    3 and name OG   )    1.0   60.0   30.0 2
4 H Chi1 t  180+-30deg
;
   142   1   145   28   parsed_5x39   1   
        24   "5 Y Chi1 g- -60+-30deg"                                                    148   1   148   28   parsed_5x39   1   
        25   "7 Q Chi1 t  180+-30deg"                                                    151   1   151   28   parsed_5x39   1   
        26   "8 c Chi1 g+   60+-30deg"                                                   154   1   154   29   parsed_5x39   1   
        27   "11 I Chi1 g- -60+-30deg"                                                   157   1   157   28   parsed_5x39   1   
        28   "11 I Chi2 t  180+-30deg"                                                   160   1   160   28   parsed_5x39   1   
        29   "13 Q Chi1 t  180+-30deg"                                                   163   1   163   28   parsed_5x39   1   
        30   "14 S Chi1 g+  60+-30deg"                                                   166   1   166   28   parsed_5x39   1   
        31   "17 T Chi1 g+  60+-30deg"                                                   169   1   169   28   parsed_5x39   1   
        32   "18 V Chi1 t  180+-30deg"                                                   172   1   172   28   parsed_5x39   1   
        33   "19 c Chi1 g- -60+-30deg"                                                   175   1   175   28   parsed_5x39   1   
        34   "23 T Chi1 g+  60+-30deg"                                                   178   1   178   28   parsed_5x39   1   
        35   "24 T Chi1 g+ 180+-30deg"                                                   181   1   181   28   parsed_5x39   1   
        36   "25 c Chi1 t  180+-30deg"                                                   184   1   184   28   parsed_5x39   1   
        37   "26 Q Chi1 g- -60+-30deg"                                                   187   1   187   28   parsed_5x39   1   
        38   "27 V Chi1 t  180+-30deg"                                                   190   1   190   28   parsed_5x39   1   
        39   "28 L Chi1 g- -60+-30deg"                                                   193   1   193   28   parsed_5x39   1   
        40   "28 L Chi2 t  180+-30deg"                                                   196   1   196   28   parsed_5x39   1   
        41   "31 Y Chi1 g- -60+-30deg"                                                   199   1   199   28   parsed_5x39   1   
        42   "32 Y Chi1 t  180+-30deg"                                                   202   1   202   28   parsed_5x39   1   
        43   "33 S Chi1 g- -60+-30deg"                                                   205   1   205   28   parsed_5x39   1   
        44   "35 c Chi1 t  180+-30deg"                                                   208   1   208   28   parsed_5x39   1   
    stop_


    loop_
        _TA_constraint_parse_err.ID 
        _TA_constraint_parse_err.Content 
        _TA_constraint_parse_err.Begin_line 
        _TA_constraint_parse_err.Begin_column 
        _TA_constraint_parse_err.End_line 
        _TA_constraint_parse_err.End_column 
        _TA_constraint_parse_err.Entry_ID 
        _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 

        1   "# Restraints file 2: talos.tbl"    1   1   1   30   parsed_5x39   1   
    stop_

save_





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